Optimization of density and cost in the prediction of solid solution formation of multicomponent metal alloys

Multicomponent alloys or high-entropy alloys (HEAs) are the most recent breakthroughs in the metal alloying area. Their unique possibilities in mechanical properties and their vast universe of combinations turn them into a highly active research area. The properties of HEAs depend on the solid solution formation, which can be predicted by calculation. Therefore, we present a method to simulate discrete compositions of the alloy elements in the software MD 2.0, created to calculate four parameters and provide their associated statuses to predict the solid solution formation in multicomponent alloys. The HEA CoCrCuFeNi was subjected to calculation in MD 2.0, and, if all the imposed restrictions and criteria are concomitantly attended: (a) the minimum density (8.426 g/cm3) solid solution formation refers to 33.122% Co, 6.491% Cr, 9.984% Cu, 34.909% Fe, and 15.494% Ni composition; (b) the minimum specific cost (US$/kg 7.560) under solid solution formation addresses 5.059% Co, 5.174% Cr, 31.553% Cu, 33.975% Fe, and 24.239% Ni composition. Given this result, it is possible to select the optimized composition of the alloy according to the design objective.